USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 THR OG1 : rot -74:sc= 1.11 USER MOD Set 1.2: A 51 THR OG1 : rot 180:sc= 0.956 USER MOD Set 2.1: A 42 THR OG1 : rot 180:sc= 0.0069 USER MOD Set 2.2: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 22 CYS SG : rot 45:sc= 0.00684 USER MOD Set 3.2: A 71 TYR OH : rot -154:sc= 0.00616 USER MOD Set 4.1: A 8 LYS NZ :NH3+ -155:sc= 0.736 (180deg=0.432) USER MOD Set 4.2: A 52 TYR OH : rot -172:sc= 0.393 USER MOD Single : A 10 GLN : amide:sc= 0.77 K(o=0.77,f=-4.4!) USER MOD Single : A 11 GLN : amide:sc= 0.652 K(o=0.65,f=-3.6!) USER MOD Single : A 12 MET CE :methyl 169:sc=-0.00805 (180deg=-0.199) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.00407) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -140:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0.176 K(o=0.18,f=-3.6!) USER MOD Single : A 72 THR OG1 : rot 47:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 7 -5.245 -4.594 -14.967 1.00 0.00 N ATOM 14 CA LEU A 7 -4.774 -4.200 -13.646 1.00 0.00 C ATOM 15 C LEU A 7 -3.251 -4.331 -13.569 1.00 0.00 C ATOM 16 O LEU A 7 -2.665 -5.259 -14.133 1.00 0.00 O ATOM 17 CB LEU A 7 -5.530 -4.982 -12.550 1.00 0.00 C ATOM 18 CG LEU A 7 -5.351 -6.509 -12.414 1.00 0.00 C ATOM 19 CD1 LEU A 7 -5.871 -6.932 -11.031 1.00 0.00 C ATOM 20 CD2 LEU A 7 -6.130 -7.320 -13.462 1.00 0.00 C ATOM 0 HA LEU A 7 -4.996 -3.148 -13.467 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.257 -4.539 -11.592 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.594 -4.794 -12.696 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.290 -6.715 -12.557 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.754 -8.009 -10.912 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.303 -6.418 -10.256 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.925 -6.669 -10.943 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.955 -8.384 -13.303 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.195 -7.109 -13.367 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.793 -7.043 -14.461 1.00 0.00 H new ATOM 31 N LYS A 8 -2.600 -3.384 -12.901 1.00 0.00 N ATOM 32 CA LYS A 8 -1.136 -3.259 -12.862 1.00 0.00 C ATOM 33 C LYS A 8 -0.561 -3.636 -11.489 1.00 0.00 C ATOM 34 O LYS A 8 -1.222 -3.417 -10.471 1.00 0.00 O ATOM 35 CB LYS A 8 -0.732 -1.822 -13.254 1.00 0.00 C ATOM 36 CG LYS A 8 -1.395 -0.730 -12.388 1.00 0.00 C ATOM 37 CD LYS A 8 -0.606 0.590 -12.440 1.00 0.00 C ATOM 38 CE LYS A 8 -1.017 1.544 -11.306 1.00 0.00 C ATOM 39 NZ LYS A 8 -0.077 2.688 -11.168 1.00 0.00 N ATOM 0 H LYS A 8 -3.079 -2.665 -12.359 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.715 -3.962 -13.580 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.351 -1.725 -13.177 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.994 -1.653 -14.298 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.414 -0.559 -12.734 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.462 -1.074 -11.356 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.461 0.379 -12.369 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.772 1.075 -13.402 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.021 1.922 -11.497 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.057 0.993 -10.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.114 3.052 -10.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.890 2.371 -11.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.348 3.442 -11.831 1.00 0.00 H new ATOM 49 N THR A 9 0.682 -4.132 -11.441 1.00 0.00 N ATOM 50 CA THR A 9 1.486 -4.223 -10.204 1.00 0.00 C ATOM 51 C THR A 9 2.416 -3.015 -10.112 1.00 0.00 C ATOM 52 O THR A 9 2.821 -2.466 -11.135 1.00 0.00 O ATOM 53 CB THR A 9 2.265 -5.542 -10.130 1.00 0.00 C ATOM 54 OG1 THR A 9 1.391 -6.614 -10.391 1.00 0.00 O ATOM 55 CG2 THR A 9 2.845 -5.787 -8.735 1.00 0.00 C ATOM 0 H THR A 9 1.167 -4.486 -12.265 1.00 0.00 H new ATOM 0 HA THR A 9 0.812 -4.214 -9.347 1.00 0.00 H new ATOM 0 HB THR A 9 3.072 -5.476 -10.860 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.814 -6.763 -9.613 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.389 -6.732 -8.728 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.525 -4.975 -8.476 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.035 -5.829 -8.006 1.00 0.00 H new ATOM 63 N GLN A 10 2.754 -2.587 -8.898 1.00 0.00 N ATOM 64 CA GLN A 10 3.560 -1.402 -8.614 1.00 0.00 C ATOM 65 C GLN A 10 4.185 -1.557 -7.224 1.00 0.00 C ATOM 66 O GLN A 10 3.598 -2.197 -6.341 1.00 0.00 O ATOM 67 CB GLN A 10 2.655 -0.153 -8.727 1.00 0.00 C ATOM 68 CG GLN A 10 3.218 1.207 -8.266 1.00 0.00 C ATOM 69 CD GLN A 10 4.445 1.730 -9.027 1.00 0.00 C ATOM 70 OE1 GLN A 10 5.419 1.021 -9.271 1.00 0.00 O ATOM 71 NE2 GLN A 10 4.460 2.980 -9.444 1.00 0.00 N ATOM 0 H GLN A 10 2.462 -3.076 -8.051 1.00 0.00 H new ATOM 0 HA GLN A 10 4.374 -1.285 -9.329 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.358 -0.052 -9.771 1.00 0.00 H new ATOM 0 HB3 GLN A 10 1.748 -0.348 -8.155 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.424 1.950 -8.345 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.478 1.129 -7.210 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.665 3.590 -9.255 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.267 3.337 -9.956 1.00 0.00 H new ATOM 78 N GLN A 11 5.366 -0.964 -7.039 1.00 0.00 N ATOM 79 CA GLN A 11 6.024 -0.819 -5.741 1.00 0.00 C ATOM 80 C GLN A 11 5.847 0.629 -5.248 1.00 0.00 C ATOM 81 O GLN A 11 5.768 1.554 -6.061 1.00 0.00 O ATOM 82 CB GLN A 11 7.513 -1.208 -5.866 1.00 0.00 C ATOM 83 CG GLN A 11 8.156 -1.552 -4.508 1.00 0.00 C ATOM 84 CD GLN A 11 9.676 -1.707 -4.581 1.00 0.00 C ATOM 85 OE1 GLN A 11 10.399 -0.786 -4.959 1.00 0.00 O ATOM 86 NE2 GLN A 11 10.222 -2.837 -4.183 1.00 0.00 N ATOM 0 H GLN A 11 5.904 -0.562 -7.807 1.00 0.00 H new ATOM 0 HA GLN A 11 5.572 -1.486 -5.007 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.605 -2.064 -6.534 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.062 -0.385 -6.325 1.00 0.00 H new ATOM 0 HG2 GLN A 11 7.911 -0.770 -3.789 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.721 -2.478 -4.132 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.631 -3.606 -3.868 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.236 -2.943 -4.190 1.00 0.00 H new ATOM 93 N MET A 12 5.807 0.858 -3.932 1.00 0.00 N ATOM 94 CA MET A 12 5.697 2.201 -3.348 1.00 0.00 C ATOM 95 C MET A 12 6.537 2.364 -2.080 1.00 0.00 C ATOM 96 O MET A 12 6.623 1.450 -1.250 1.00 0.00 O ATOM 97 CB MET A 12 4.224 2.569 -3.095 1.00 0.00 C ATOM 98 CG MET A 12 3.482 1.582 -2.179 1.00 0.00 C ATOM 99 SD MET A 12 1.799 2.074 -1.714 1.00 0.00 S ATOM 100 CE MET A 12 1.016 2.156 -3.344 1.00 0.00 C ATOM 0 H MET A 12 5.850 0.113 -3.236 1.00 0.00 H new ATOM 0 HA MET A 12 6.106 2.899 -4.079 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.180 3.564 -2.652 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.704 2.623 -4.051 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.435 0.614 -2.677 1.00 0.00 H new ATOM 0 HG3 MET A 12 4.067 1.445 -1.270 1.00 0.00 H new ATOM 0 HE1 MET A 12 -0.063 2.254 -3.225 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.400 3.018 -3.889 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.239 1.246 -3.901 1.00 0.00 H new ATOM 108 N GLN A 13 7.105 3.561 -1.920 1.00 0.00 N ATOM 109 CA GLN A 13 7.712 4.007 -0.672 1.00 0.00 C ATOM 110 C GLN A 13 6.636 4.542 0.290 1.00 0.00 C ATOM 111 O GLN A 13 5.756 5.322 -0.092 1.00 0.00 O ATOM 112 CB GLN A 13 8.803 5.063 -0.928 1.00 0.00 C ATOM 113 CG GLN A 13 10.059 4.470 -1.588 1.00 0.00 C ATOM 114 CD GLN A 13 11.191 5.494 -1.702 1.00 0.00 C ATOM 115 OE1 GLN A 13 11.609 6.128 -0.737 1.00 0.00 O ATOM 116 NE2 GLN A 13 11.755 5.697 -2.871 1.00 0.00 N ATOM 0 H GLN A 13 7.155 4.255 -2.666 1.00 0.00 H new ATOM 0 HA GLN A 13 8.192 3.148 -0.203 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.399 5.849 -1.566 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.080 5.530 0.017 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.403 3.614 -1.007 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.805 4.100 -2.581 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.429 5.185 -3.690 1.00 0.00 H new ATOM 0 HE22 GLN A 13 12.519 6.367 -2.959 1.00 0.00 H new ATOM 123 N VAL A 14 6.729 4.124 1.552 1.00 0.00 N ATOM 124 CA VAL A 14 5.712 4.241 2.609 1.00 0.00 C ATOM 125 C VAL A 14 6.429 4.197 3.963 1.00 0.00 C ATOM 126 O VAL A 14 7.094 3.210 4.278 1.00 0.00 O ATOM 127 CB VAL A 14 4.674 3.084 2.529 1.00 0.00 C ATOM 128 CG1 VAL A 14 3.743 3.062 3.760 1.00 0.00 C ATOM 129 CG2 VAL A 14 3.783 3.163 1.283 1.00 0.00 C ATOM 0 H VAL A 14 7.573 3.662 1.891 1.00 0.00 H new ATOM 0 HA VAL A 14 5.170 5.179 2.484 1.00 0.00 H new ATOM 0 HB VAL A 14 5.276 2.176 2.486 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.034 2.240 3.665 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.337 2.926 4.663 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.200 4.005 3.822 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.081 2.329 1.284 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.231 4.103 1.290 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.403 3.113 0.388 1.00 0.00 H new ATOM 139 N GLY A 15 6.259 5.240 4.788 1.00 0.00 N ATOM 140 CA GLY A 15 6.970 5.366 6.074 1.00 0.00 C ATOM 141 C GLY A 15 6.600 4.283 7.095 1.00 0.00 C ATOM 142 O GLY A 15 7.431 3.893 7.918 1.00 0.00 O ATOM 0 H GLY A 15 5.629 6.017 4.587 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.044 5.327 5.890 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.755 6.345 6.503 1.00 0.00 H new ATOM 146 N GLY A 16 5.383 3.738 6.998 1.00 0.00 N ATOM 147 CA GLY A 16 4.823 2.696 7.868 1.00 0.00 C ATOM 148 C GLY A 16 5.195 1.264 7.479 1.00 0.00 C ATOM 149 O GLY A 16 4.375 0.370 7.662 1.00 0.00 O ATOM 0 H GLY A 16 4.727 4.026 6.272 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.157 2.878 8.890 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.737 2.787 7.867 1.00 0.00 H new ATOM 153 N MET A 17 6.393 1.046 6.928 1.00 0.00 N ATOM 154 CA MET A 17 6.904 -0.286 6.552 1.00 0.00 C ATOM 155 C MET A 17 8.153 -0.718 7.335 1.00 0.00 C ATOM 156 O MET A 17 8.302 -1.903 7.606 1.00 0.00 O ATOM 157 CB MET A 17 7.216 -0.300 5.049 1.00 0.00 C ATOM 158 CG MET A 17 5.950 -0.246 4.192 1.00 0.00 C ATOM 159 SD MET A 17 5.023 -1.800 4.179 1.00 0.00 S ATOM 160 CE MET A 17 3.363 -1.143 4.434 1.00 0.00 C ATOM 0 H MET A 17 7.050 1.800 6.725 1.00 0.00 H new ATOM 0 HA MET A 17 6.121 -1.002 6.803 1.00 0.00 H new ATOM 0 HB2 MET A 17 7.854 0.550 4.805 1.00 0.00 H new ATOM 0 HB3 MET A 17 7.779 -1.201 4.805 1.00 0.00 H new ATOM 0 HG2 MET A 17 5.304 0.551 4.561 1.00 0.00 H new ATOM 0 HG3 MET A 17 6.223 0.014 3.169 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.646 -1.964 4.455 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.326 -0.605 5.381 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.112 -0.463 3.620 1.00 0.00 H new ATOM 219 N CYS A 22 4.164 -2.067 11.923 1.00 0.00 N ATOM 220 CA CYS A 22 3.529 -1.134 10.989 1.00 0.00 C ATOM 221 C CYS A 22 3.188 -1.800 9.654 1.00 0.00 C ATOM 222 O CYS A 22 2.013 -1.807 9.281 1.00 0.00 O ATOM 223 CB CYS A 22 4.381 0.140 10.838 1.00 0.00 C ATOM 224 SG CYS A 22 4.458 1.028 12.421 1.00 0.00 S ATOM 0 HA CYS A 22 2.570 -0.827 11.407 1.00 0.00 H new ATOM 0 HB2 CYS A 22 5.387 -0.122 10.509 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.953 0.785 10.070 1.00 0.00 H new ATOM 0 HG CYS A 22 4.689 0.183 13.382 1.00 0.00 H new ATOM 229 N ALA A 23 4.147 -2.486 9.021 1.00 0.00 N ATOM 230 CA ALA A 23 3.896 -3.347 7.866 1.00 0.00 C ATOM 231 C ALA A 23 2.740 -4.340 8.131 1.00 0.00 C ATOM 232 O ALA A 23 1.906 -4.580 7.261 1.00 0.00 O ATOM 233 CB ALA A 23 5.212 -4.069 7.555 1.00 0.00 C ATOM 0 H ALA A 23 5.127 -2.457 9.301 1.00 0.00 H new ATOM 0 HA ALA A 23 3.576 -2.754 7.009 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.073 -4.726 6.696 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.985 -3.335 7.328 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.515 -4.661 8.419 1.00 0.00 H new ATOM 239 N SER A 24 2.616 -4.835 9.367 1.00 0.00 N ATOM 240 CA SER A 24 1.574 -5.809 9.753 1.00 0.00 C ATOM 241 C SER A 24 0.194 -5.155 9.943 1.00 0.00 C ATOM 242 O SER A 24 -0.836 -5.799 9.771 1.00 0.00 O ATOM 243 CB SER A 24 1.962 -6.531 11.056 1.00 0.00 C ATOM 244 OG SER A 24 3.212 -7.205 10.961 1.00 0.00 O ATOM 0 H SER A 24 3.235 -4.574 10.135 1.00 0.00 H new ATOM 0 HA SER A 24 1.504 -6.522 8.932 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.006 -5.806 11.869 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.185 -7.251 11.313 1.00 0.00 H new ATOM 0 HG SER A 24 3.412 -7.645 11.814 1.00 0.00 H new ATOM 249 N SER A 25 0.151 -3.863 10.271 1.00 0.00 N ATOM 250 CA SER A 25 -1.088 -3.078 10.409 1.00 0.00 C ATOM 251 C SER A 25 -1.637 -2.644 9.045 1.00 0.00 C ATOM 252 O SER A 25 -2.841 -2.432 8.888 1.00 0.00 O ATOM 253 CB SER A 25 -0.857 -1.867 11.330 1.00 0.00 C ATOM 254 OG SER A 25 -0.300 -2.244 12.590 1.00 0.00 O ATOM 0 H SER A 25 0.992 -3.316 10.453 1.00 0.00 H new ATOM 0 HA SER A 25 -1.842 -3.718 10.867 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.190 -1.160 10.837 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.803 -1.351 11.493 1.00 0.00 H new ATOM 0 HG SER A 25 -0.168 -1.445 13.142 1.00 0.00 H new ATOM 259 N ILE A 26 -0.776 -2.592 8.026 1.00 0.00 N ATOM 260 CA ILE A 26 -1.189 -2.462 6.627 1.00 0.00 C ATOM 261 C ILE A 26 -1.602 -3.824 6.052 1.00 0.00 C ATOM 262 O ILE A 26 -2.724 -3.957 5.563 1.00 0.00 O ATOM 263 CB ILE A 26 -0.062 -1.776 5.818 1.00 0.00 C ATOM 264 CG1 ILE A 26 0.376 -0.409 6.399 1.00 0.00 C ATOM 265 CG2 ILE A 26 -0.466 -1.614 4.345 1.00 0.00 C ATOM 266 CD1 ILE A 26 -0.759 0.588 6.635 1.00 0.00 C ATOM 0 H ILE A 26 0.235 -2.639 8.150 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.072 -1.827 6.558 1.00 0.00 H new ATOM 0 HB ILE A 26 0.800 -2.439 5.892 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.890 -0.581 7.345 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.100 0.042 5.720 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.342 -1.129 3.797 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.661 -2.595 3.911 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.366 -1.003 4.280 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.352 1.513 7.043 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.261 0.798 5.691 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.474 0.165 7.340 1.00 0.00 H new ATOM 277 N GLU A 27 -0.742 -4.846 6.123 1.00 0.00 N ATOM 278 CA GLU A 27 -0.954 -6.106 5.392 1.00 0.00 C ATOM 279 C GLU A 27 -2.172 -6.894 5.905 1.00 0.00 C ATOM 280 O GLU A 27 -2.891 -7.503 5.105 1.00 0.00 O ATOM 281 CB GLU A 27 0.317 -6.975 5.435 1.00 0.00 C ATOM 282 CG GLU A 27 0.291 -8.079 4.364 1.00 0.00 C ATOM 283 CD GLU A 27 1.605 -8.856 4.287 1.00 0.00 C ATOM 284 OE1 GLU A 27 1.937 -9.591 5.247 1.00 0.00 O ATOM 285 OE2 GLU A 27 2.306 -8.781 3.251 1.00 0.00 O ATOM 0 H GLU A 27 0.112 -4.827 6.681 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.168 -5.840 4.357 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.194 -6.345 5.286 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.414 -7.428 6.422 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.523 -8.771 4.580 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.080 -7.632 3.392 1.00 0.00 H new ATOM 290 N ARG A 28 -2.469 -6.850 7.215 1.00 0.00 N ATOM 291 CA ARG A 28 -3.660 -7.534 7.743 1.00 0.00 C ATOM 292 C ARG A 28 -4.978 -6.906 7.237 1.00 0.00 C ATOM 293 O ARG A 28 -6.005 -7.585 7.204 1.00 0.00 O ATOM 294 CB ARG A 28 -3.588 -7.628 9.277 1.00 0.00 C ATOM 295 CG ARG A 28 -4.498 -8.742 9.819 1.00 0.00 C ATOM 296 CD ARG A 28 -4.523 -8.771 11.348 1.00 0.00 C ATOM 297 NE ARG A 28 -5.314 -9.912 11.828 1.00 0.00 N ATOM 298 CZ ARG A 28 -5.681 -10.176 13.072 1.00 0.00 C ATOM 299 NH1 ARG A 28 -5.393 -9.396 14.089 1.00 0.00 N ATOM 300 NH2 ARG A 28 -6.355 -11.274 13.301 1.00 0.00 N ATOM 0 H ARG A 28 -1.913 -6.358 7.915 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.664 -8.552 7.353 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.559 -7.817 9.583 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.880 -6.673 9.715 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.511 -8.597 9.443 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.153 -9.706 9.444 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.506 -8.839 11.733 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.947 -7.842 11.728 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.616 -10.580 11.119 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.861 -8.538 13.939 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.701 -9.648 15.028 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.585 -11.901 12.530 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.651 -11.502 14.250 1.00 0.00 H new ATOM 311 N ALA A 29 -4.974 -5.650 6.776 1.00 0.00 N ATOM 312 CA ALA A 29 -6.127 -5.023 6.119 1.00 0.00 C ATOM 313 C ALA A 29 -6.084 -5.118 4.587 1.00 0.00 C ATOM 314 O ALA A 29 -7.139 -5.197 3.959 1.00 0.00 O ATOM 315 CB ALA A 29 -6.199 -3.558 6.546 1.00 0.00 C ATOM 0 H ALA A 29 -4.164 -5.035 6.849 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.017 -5.569 6.433 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.052 -3.080 6.064 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.314 -3.500 7.628 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.283 -3.047 6.250 1.00 0.00 H new ATOM 321 N LEU A 30 -4.898 -5.116 3.971 1.00 0.00 N ATOM 322 CA LEU A 30 -4.732 -4.956 2.519 1.00 0.00 C ATOM 323 C LEU A 30 -5.400 -6.056 1.672 1.00 0.00 C ATOM 324 O LEU A 30 -5.705 -5.819 0.511 1.00 0.00 O ATOM 325 CB LEU A 30 -3.227 -4.791 2.224 1.00 0.00 C ATOM 326 CG LEU A 30 -2.872 -4.370 0.780 1.00 0.00 C ATOM 327 CD1 LEU A 30 -3.638 -3.125 0.312 1.00 0.00 C ATOM 328 CD2 LEU A 30 -1.373 -4.055 0.708 1.00 0.00 C ATOM 0 H LEU A 30 -4.015 -5.226 4.470 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.270 -4.059 2.210 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.820 -4.049 2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.727 -5.735 2.442 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.149 -5.200 0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.345 -2.880 -0.709 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.709 -3.323 0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.404 -2.286 0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.112 -3.757 -0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.138 -3.243 1.396 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.801 -4.941 0.984 1.00 0.00 H new ATOM 339 N GLU A 31 -5.719 -7.217 2.245 1.00 0.00 N ATOM 340 CA GLU A 31 -6.471 -8.274 1.559 1.00 0.00 C ATOM 341 C GLU A 31 -7.985 -8.009 1.471 1.00 0.00 C ATOM 342 O GLU A 31 -8.678 -8.688 0.702 1.00 0.00 O ATOM 343 CB GLU A 31 -6.231 -9.617 2.272 1.00 0.00 C ATOM 344 CG GLU A 31 -6.765 -9.644 3.715 1.00 0.00 C ATOM 345 CD GLU A 31 -6.651 -11.037 4.312 1.00 0.00 C ATOM 346 OE1 GLU A 31 -5.534 -11.412 4.740 1.00 0.00 O ATOM 347 OE2 GLU A 31 -7.672 -11.760 4.368 1.00 0.00 O ATOM 0 H GLU A 31 -5.463 -7.454 3.203 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.101 -8.297 0.534 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.707 -10.414 1.701 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.162 -9.828 2.284 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.206 -8.936 4.327 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.807 -9.323 3.727 1.00 0.00 H new ATOM 352 N ARG A 32 -8.510 -7.068 2.270 1.00 0.00 N ATOM 353 CA ARG A 32 -9.944 -6.786 2.407 1.00 0.00 C ATOM 354 C ARG A 32 -10.342 -5.328 2.094 1.00 0.00 C ATOM 355 O ARG A 32 -11.522 -5.001 2.167 1.00 0.00 O ATOM 356 CB ARG A 32 -10.482 -7.303 3.758 1.00 0.00 C ATOM 357 CG ARG A 32 -9.911 -6.632 5.019 1.00 0.00 C ATOM 358 CD ARG A 32 -10.420 -7.281 6.316 1.00 0.00 C ATOM 359 NE ARG A 32 -11.882 -7.189 6.468 1.00 0.00 N ATOM 360 CZ ARG A 32 -12.768 -8.177 6.392 1.00 0.00 C ATOM 361 NH1 ARG A 32 -12.436 -9.431 6.182 1.00 0.00 N ATOM 362 NH2 ARG A 32 -14.047 -7.913 6.517 1.00 0.00 N ATOM 0 H ARG A 32 -7.931 -6.466 2.855 1.00 0.00 H new ATOM 0 HA ARG A 32 -10.446 -7.352 1.622 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -11.565 -7.180 3.765 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.283 -8.373 3.819 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.823 -6.685 4.993 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.178 -5.575 5.017 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.123 -8.330 6.332 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.940 -6.801 7.169 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.258 -6.259 6.653 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.455 -9.687 6.068 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.159 -10.149 6.133 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.357 -6.954 6.672 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -14.731 -8.667 6.460 1.00 0.00 H new ATOM 373 N LEU A 33 -9.403 -4.456 1.690 1.00 0.00 N ATOM 374 CA LEU A 33 -9.703 -3.082 1.232 1.00 0.00 C ATOM 375 C LEU A 33 -10.473 -2.979 -0.109 1.00 0.00 C ATOM 376 O LEU A 33 -10.917 -1.878 -0.442 1.00 0.00 O ATOM 377 CB LEU A 33 -8.407 -2.243 1.154 1.00 0.00 C ATOM 378 CG LEU A 33 -7.605 -2.088 2.461 1.00 0.00 C ATOM 379 CD1 LEU A 33 -6.398 -1.169 2.225 1.00 0.00 C ATOM 380 CD2 LEU A 33 -8.443 -1.540 3.626 1.00 0.00 C ATOM 0 H LEU A 33 -8.409 -4.682 1.671 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.381 -2.684 1.987 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.755 -2.693 0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.667 -1.248 0.794 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.278 -3.088 2.746 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.835 -1.063 3.152 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.756 -1.602 1.458 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.745 -0.189 1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.818 -1.455 4.515 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.834 -0.557 3.362 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.272 -2.218 3.828 1.00 0.00 H new ATOM 391 N LYS A 34 -10.630 -4.074 -0.871 1.00 0.00 N ATOM 392 CA LYS A 34 -11.419 -4.184 -2.119 1.00 0.00 C ATOM 393 C LYS A 34 -10.737 -3.523 -3.335 1.00 0.00 C ATOM 394 O LYS A 34 -9.971 -2.569 -3.202 1.00 0.00 O ATOM 395 CB LYS A 34 -12.856 -3.673 -1.891 1.00 0.00 C ATOM 396 CG LYS A 34 -13.857 -4.200 -2.928 1.00 0.00 C ATOM 397 CD LYS A 34 -15.285 -3.896 -2.465 1.00 0.00 C ATOM 398 CE LYS A 34 -16.302 -4.288 -3.537 1.00 0.00 C ATOM 399 NZ LYS A 34 -17.681 -4.030 -3.071 1.00 0.00 N ATOM 0 H LYS A 34 -10.187 -4.958 -0.623 1.00 0.00 H new ATOM 0 HA LYS A 34 -11.474 -5.242 -2.376 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.186 -3.968 -0.895 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -12.856 -2.583 -1.917 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -13.671 -3.735 -3.896 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -13.728 -5.274 -3.060 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -15.496 -4.438 -1.543 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -15.380 -2.834 -2.239 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.110 -3.724 -4.450 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -16.188 -5.343 -3.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -18.355 -4.303 -3.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -17.867 -4.587 -2.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -17.792 -3.018 -2.858 1.00 0.00 H new ATOM 409 N GLY A 35 -10.928 -4.056 -4.547 1.00 0.00 N ATOM 410 CA GLY A 35 -10.321 -3.552 -5.796 1.00 0.00 C ATOM 411 C GLY A 35 -8.833 -3.896 -5.936 1.00 0.00 C ATOM 412 O GLY A 35 -8.408 -4.344 -6.999 1.00 0.00 O ATOM 0 H GLY A 35 -11.523 -4.871 -4.696 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.863 -3.966 -6.647 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.441 -2.469 -5.838 1.00 0.00 H new ATOM 416 N VAL A 36 -8.065 -3.776 -4.852 1.00 0.00 N ATOM 417 CA VAL A 36 -6.760 -4.437 -4.672 1.00 0.00 C ATOM 418 C VAL A 36 -6.885 -5.950 -4.895 1.00 0.00 C ATOM 419 O VAL A 36 -7.751 -6.604 -4.314 1.00 0.00 O ATOM 420 CB VAL A 36 -6.131 -4.172 -3.281 1.00 0.00 C ATOM 421 CG1 VAL A 36 -5.624 -2.728 -3.181 1.00 0.00 C ATOM 422 CG2 VAL A 36 -7.085 -4.429 -2.099 1.00 0.00 C ATOM 0 H VAL A 36 -8.335 -3.204 -4.052 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.095 -4.003 -5.419 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.310 -4.885 -3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -5.186 -2.563 -2.196 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.869 -2.554 -3.948 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -6.456 -2.039 -3.328 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.568 -4.220 -1.162 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.955 -3.779 -2.186 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -7.407 -5.470 -2.111 1.00 0.00 H new ATOM 432 N ALA A 37 -6.025 -6.507 -5.748 1.00 0.00 N ATOM 433 CA ALA A 37 -6.050 -7.915 -6.147 1.00 0.00 C ATOM 434 C ALA A 37 -5.039 -8.767 -5.365 1.00 0.00 C ATOM 435 O ALA A 37 -5.407 -9.819 -4.838 1.00 0.00 O ATOM 436 CB ALA A 37 -5.792 -7.981 -7.656 1.00 0.00 C ATOM 0 H ALA A 37 -5.273 -5.979 -6.192 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.027 -8.337 -5.912 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.805 -9.021 -7.982 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.568 -7.426 -8.182 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.819 -7.543 -7.878 1.00 0.00 H new ATOM 442 N GLU A 38 -3.793 -8.301 -5.257 1.00 0.00 N ATOM 443 CA GLU A 38 -2.655 -9.084 -4.768 1.00 0.00 C ATOM 444 C GLU A 38 -1.562 -8.161 -4.214 1.00 0.00 C ATOM 445 O GLU A 38 -1.262 -7.145 -4.836 1.00 0.00 O ATOM 446 CB GLU A 38 -2.156 -9.991 -5.911 1.00 0.00 C ATOM 447 CG GLU A 38 -0.817 -10.675 -5.625 1.00 0.00 C ATOM 448 CD GLU A 38 -0.642 -11.942 -6.452 1.00 0.00 C ATOM 449 OE1 GLU A 38 -0.551 -11.840 -7.701 1.00 0.00 O ATOM 450 OE2 GLU A 38 -0.599 -13.040 -5.847 1.00 0.00 O ATOM 0 H GLU A 38 -3.541 -7.346 -5.513 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.957 -9.722 -3.937 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.908 -10.755 -6.109 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.061 -9.395 -6.819 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.002 -9.984 -5.841 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.753 -10.921 -4.565 1.00 0.00 H new ATOM 455 N ALA A 39 -0.949 -8.494 -3.072 1.00 0.00 N ATOM 456 CA ALA A 39 0.014 -7.626 -2.376 1.00 0.00 C ATOM 457 C ALA A 39 0.862 -8.358 -1.321 1.00 0.00 C ATOM 458 O ALA A 39 0.440 -9.377 -0.761 1.00 0.00 O ATOM 459 CB ALA A 39 -0.747 -6.461 -1.727 1.00 0.00 C ATOM 0 H ALA A 39 -1.108 -9.383 -2.598 1.00 0.00 H new ATOM 0 HA ALA A 39 0.719 -7.265 -3.124 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.043 -5.811 -1.208 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.267 -5.892 -2.498 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.473 -6.853 -1.014 1.00 0.00 H new ATOM 465 N SER A 40 2.030 -7.799 -0.999 1.00 0.00 N ATOM 466 CA SER A 40 2.951 -8.341 0.014 1.00 0.00 C ATOM 467 C SER A 40 3.952 -7.282 0.522 1.00 0.00 C ATOM 468 O SER A 40 4.583 -6.580 -0.279 1.00 0.00 O ATOM 469 CB SER A 40 3.695 -9.556 -0.562 1.00 0.00 C ATOM 470 OG SER A 40 4.218 -10.382 0.466 1.00 0.00 O ATOM 0 H SER A 40 2.372 -6.944 -1.438 1.00 0.00 H new ATOM 0 HA SER A 40 2.356 -8.650 0.874 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.016 -10.137 -1.187 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.507 -9.215 -1.205 1.00 0.00 H new ATOM 0 HG SER A 40 4.683 -11.146 0.067 1.00 0.00 H new ATOM 475 N VAL A 41 4.108 -7.153 1.847 1.00 0.00 N ATOM 476 CA VAL A 41 4.996 -6.145 2.481 1.00 0.00 C ATOM 477 C VAL A 41 6.446 -6.632 2.605 1.00 0.00 C ATOM 478 O VAL A 41 6.700 -7.835 2.733 1.00 0.00 O ATOM 479 CB VAL A 41 4.487 -5.674 3.871 1.00 0.00 C ATOM 480 CG1 VAL A 41 3.078 -5.076 3.744 1.00 0.00 C ATOM 481 CG2 VAL A 41 4.537 -6.778 4.940 1.00 0.00 C ATOM 0 H VAL A 41 3.622 -7.745 2.521 1.00 0.00 H new ATOM 0 HA VAL A 41 4.972 -5.291 1.804 1.00 0.00 H new ATOM 0 HB VAL A 41 5.171 -4.899 4.217 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.732 -4.749 4.725 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.105 -4.223 3.066 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.396 -5.831 3.351 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.168 -6.384 5.887 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.913 -7.615 4.628 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.565 -7.118 5.064 1.00 0.00 H new ATOM 491 N THR A 42 7.400 -5.691 2.629 1.00 0.00 N ATOM 492 CA THR A 42 8.798 -5.937 3.015 1.00 0.00 C ATOM 493 C THR A 42 9.230 -4.895 4.036 1.00 0.00 C ATOM 494 O THR A 42 9.111 -3.693 3.807 1.00 0.00 O ATOM 495 CB THR A 42 9.728 -6.002 1.797 1.00 0.00 C ATOM 496 OG1 THR A 42 11.064 -6.106 2.236 1.00 0.00 O ATOM 497 CG2 THR A 42 9.632 -4.809 0.848 1.00 0.00 C ATOM 0 H THR A 42 7.219 -4.720 2.376 1.00 0.00 H new ATOM 0 HA THR A 42 8.871 -6.919 3.482 1.00 0.00 H new ATOM 0 HB THR A 42 9.404 -6.876 1.233 1.00 0.00 H new ATOM 0 HG1 THR A 42 11.661 -6.149 1.460 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.326 -4.947 0.019 1.00 0.00 H new ATOM 0 HG22 THR A 42 8.616 -4.733 0.461 1.00 0.00 H new ATOM 0 HG23 THR A 42 9.885 -3.895 1.386 1.00 0.00 H new ATOM 505 N VAL A 43 9.732 -5.378 5.166 1.00 0.00 N ATOM 506 CA VAL A 43 10.238 -4.571 6.287 1.00 0.00 C ATOM 507 C VAL A 43 11.728 -4.272 6.058 1.00 0.00 C ATOM 508 O VAL A 43 12.191 -3.167 6.328 1.00 0.00 O ATOM 509 CB VAL A 43 10.067 -5.328 7.628 1.00 0.00 C ATOM 510 CG1 VAL A 43 10.547 -4.511 8.840 1.00 0.00 C ATOM 511 CG2 VAL A 43 8.601 -5.732 7.861 1.00 0.00 C ATOM 0 H VAL A 43 9.804 -6.380 5.341 1.00 0.00 H new ATOM 0 HA VAL A 43 9.670 -3.642 6.337 1.00 0.00 H new ATOM 0 HB VAL A 43 10.691 -6.218 7.541 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.403 -5.092 9.751 1.00 0.00 H new ATOM 0 HG12 VAL A 43 11.605 -4.275 8.724 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.974 -3.586 8.905 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.516 -6.261 8.810 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.977 -4.839 7.886 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.270 -6.383 7.052 1.00 0.00 H new ATOM 521 N ALA A 44 12.464 -5.249 5.503 1.00 0.00 N ATOM 522 CA ALA A 44 13.904 -5.172 5.256 1.00 0.00 C ATOM 523 C ALA A 44 14.269 -4.083 4.235 1.00 0.00 C ATOM 524 O ALA A 44 15.239 -3.351 4.455 1.00 0.00 O ATOM 525 CB ALA A 44 14.382 -6.560 4.809 1.00 0.00 C ATOM 0 H ALA A 44 12.058 -6.137 5.207 1.00 0.00 H new ATOM 0 HA ALA A 44 14.413 -4.882 6.175 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.455 -6.531 4.618 1.00 0.00 H new ATOM 0 HB2 ALA A 44 14.173 -7.287 5.594 1.00 0.00 H new ATOM 0 HB3 ALA A 44 13.858 -6.849 3.898 1.00 0.00 H new ATOM 531 N THR A 45 13.483 -3.944 3.154 1.00 0.00 N ATOM 532 CA THR A 45 13.545 -2.797 2.224 1.00 0.00 C ATOM 533 C THR A 45 12.703 -1.628 2.735 1.00 0.00 C ATOM 534 O THR A 45 13.007 -0.474 2.437 1.00 0.00 O ATOM 535 CB THR A 45 13.062 -3.172 0.812 1.00 0.00 C ATOM 536 OG1 THR A 45 13.393 -4.502 0.490 1.00 0.00 O ATOM 537 CG2 THR A 45 13.711 -2.284 -0.251 1.00 0.00 C ATOM 0 H THR A 45 12.776 -4.633 2.896 1.00 0.00 H new ATOM 0 HA THR A 45 14.593 -2.502 2.171 1.00 0.00 H new ATOM 0 HB THR A 45 11.980 -3.038 0.819 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.071 -4.710 -0.412 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.349 -2.574 -1.238 1.00 0.00 H new ATOM 0 HG22 THR A 45 13.453 -1.242 -0.062 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.794 -2.402 -0.212 1.00 0.00 H new ATOM 545 N GLY A 46 11.630 -1.917 3.480 1.00 0.00 N ATOM 546 CA GLY A 46 10.699 -0.923 4.009 1.00 0.00 C ATOM 547 C GLY A 46 9.777 -0.379 2.921 1.00 0.00 C ATOM 548 O GLY A 46 9.664 0.836 2.790 1.00 0.00 O ATOM 0 H GLY A 46 11.382 -2.873 3.736 1.00 0.00 H new ATOM 0 HA2 GLY A 46 10.101 -1.371 4.803 1.00 0.00 H new ATOM 0 HA3 GLY A 46 11.259 -0.102 4.456 1.00 0.00 H new ATOM 552 N ARG A 47 9.140 -1.251 2.129 1.00 0.00 N ATOM 553 CA ARG A 47 8.341 -0.900 0.943 1.00 0.00 C ATOM 554 C ARG A 47 7.140 -1.841 0.786 1.00 0.00 C ATOM 555 O ARG A 47 7.087 -2.913 1.392 1.00 0.00 O ATOM 556 CB ARG A 47 9.195 -0.955 -0.345 1.00 0.00 C ATOM 557 CG ARG A 47 10.404 -0.010 -0.360 1.00 0.00 C ATOM 558 CD ARG A 47 11.059 0.012 -1.748 1.00 0.00 C ATOM 559 NE ARG A 47 12.335 0.747 -1.751 1.00 0.00 N ATOM 560 CZ ARG A 47 13.180 0.834 -2.775 1.00 0.00 C ATOM 561 NH1 ARG A 47 12.898 0.334 -3.961 1.00 0.00 N ATOM 562 NH2 ARG A 47 14.343 1.426 -2.627 1.00 0.00 N ATOM 0 H ARG A 47 9.166 -2.256 2.301 1.00 0.00 H new ATOM 0 HA ARG A 47 7.983 0.119 1.092 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.549 -1.976 -0.485 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.557 -0.719 -1.197 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.088 0.997 -0.085 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.131 -0.330 0.386 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.231 -1.011 -2.083 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.376 0.471 -2.463 1.00 0.00 H new ATOM 0 HE ARG A 47 12.594 1.232 -0.892 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.007 -0.138 -4.117 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.570 0.419 -4.723 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.602 1.822 -1.723 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.987 1.490 -3.416 1.00 0.00 H new ATOM 573 N LEU A 48 6.197 -1.467 -0.081 1.00 0.00 N ATOM 574 CA LEU A 48 5.056 -2.303 -0.469 1.00 0.00 C ATOM 575 C LEU A 48 5.113 -2.666 -1.957 1.00 0.00 C ATOM 576 O LEU A 48 5.528 -1.830 -2.757 1.00 0.00 O ATOM 577 CB LEU A 48 3.752 -1.539 -0.155 1.00 0.00 C ATOM 578 CG LEU A 48 2.836 -2.296 0.816 1.00 0.00 C ATOM 579 CD1 LEU A 48 1.624 -1.413 1.119 1.00 0.00 C ATOM 580 CD2 LEU A 48 2.336 -3.638 0.256 1.00 0.00 C ATOM 0 H LEU A 48 6.204 -0.557 -0.543 1.00 0.00 H new ATOM 0 HA LEU A 48 5.089 -3.234 0.097 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.000 -0.567 0.271 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.213 -1.352 -1.084 1.00 0.00 H new ATOM 0 HG LEU A 48 3.419 -2.517 1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.959 -1.933 1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.958 -0.479 1.571 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.091 -1.197 0.193 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.694 -4.122 0.991 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.771 -3.462 -0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.188 -4.282 0.039 1.00 0.00 H new ATOM 591 N THR A 49 4.622 -3.860 -2.320 1.00 0.00 N ATOM 592 CA THR A 49 4.230 -4.237 -3.692 1.00 0.00 C ATOM 593 C THR A 49 2.732 -4.492 -3.670 1.00 0.00 C ATOM 594 O THR A 49 2.253 -5.195 -2.782 1.00 0.00 O ATOM 595 CB THR A 49 4.958 -5.501 -4.178 1.00 0.00 C ATOM 596 OG1 THR A 49 6.350 -5.306 -4.104 1.00 0.00 O ATOM 597 CG2 THR A 49 4.636 -5.818 -5.638 1.00 0.00 C ATOM 0 H THR A 49 4.481 -4.615 -1.649 1.00 0.00 H new ATOM 0 HA THR A 49 4.500 -3.434 -4.378 1.00 0.00 H new ATOM 0 HB THR A 49 4.627 -6.320 -3.540 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.810 -6.114 -4.413 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.171 -6.718 -5.941 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.563 -5.979 -5.747 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.944 -4.984 -6.268 1.00 0.00 H new ATOM 605 N VAL A 50 2.005 -3.923 -4.632 1.00 0.00 N ATOM 606 CA VAL A 50 0.538 -4.021 -4.726 1.00 0.00 C ATOM 607 C VAL A 50 0.071 -4.088 -6.185 1.00 0.00 C ATOM 608 O VAL A 50 0.614 -3.393 -7.045 1.00 0.00 O ATOM 609 CB VAL A 50 -0.155 -2.872 -3.944 1.00 0.00 C ATOM 610 CG1 VAL A 50 0.229 -1.469 -4.450 1.00 0.00 C ATOM 611 CG2 VAL A 50 -1.689 -3.003 -3.942 1.00 0.00 C ATOM 0 H VAL A 50 2.420 -3.371 -5.382 1.00 0.00 H new ATOM 0 HA VAL A 50 0.237 -4.957 -4.255 1.00 0.00 H new ATOM 0 HB VAL A 50 0.214 -2.978 -2.924 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.291 -0.714 -3.860 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.305 -1.329 -4.352 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.055 -1.370 -5.498 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.124 -2.175 -3.382 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.057 -2.981 -4.968 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.973 -3.946 -3.475 1.00 0.00 H new ATOM 621 N THR A 51 -0.933 -4.935 -6.444 1.00 0.00 N ATOM 622 CA THR A 51 -1.626 -5.132 -7.722 1.00 0.00 C ATOM 623 C THR A 51 -3.061 -4.632 -7.584 1.00 0.00 C ATOM 624 O THR A 51 -3.772 -5.097 -6.695 1.00 0.00 O ATOM 625 CB THR A 51 -1.619 -6.619 -8.123 1.00 0.00 C ATOM 626 OG1 THR A 51 -0.291 -7.094 -8.214 1.00 0.00 O ATOM 627 CG2 THR A 51 -2.240 -6.835 -9.505 1.00 0.00 C ATOM 0 H THR A 51 -1.308 -5.542 -5.715 1.00 0.00 H new ATOM 0 HA THR A 51 -1.110 -4.572 -8.502 1.00 0.00 H new ATOM 0 HB THR A 51 -2.191 -7.146 -7.359 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.299 -8.040 -8.468 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.217 -7.896 -9.752 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.273 -6.486 -9.498 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.673 -6.276 -10.250 1.00 0.00 H new ATOM 635 N TYR A 52 -3.507 -3.731 -8.465 1.00 0.00 N ATOM 636 CA TYR A 52 -4.854 -3.127 -8.429 1.00 0.00 C ATOM 637 C TYR A 52 -5.356 -2.637 -9.805 1.00 0.00 C ATOM 638 O TYR A 52 -4.564 -2.297 -10.687 1.00 0.00 O ATOM 639 CB TYR A 52 -4.900 -1.989 -7.390 1.00 0.00 C ATOM 640 CG TYR A 52 -4.164 -0.711 -7.768 1.00 0.00 C ATOM 641 CD1 TYR A 52 -4.840 0.313 -8.462 1.00 0.00 C ATOM 642 CD2 TYR A 52 -2.814 -0.527 -7.401 1.00 0.00 C ATOM 643 CE1 TYR A 52 -4.174 1.509 -8.788 1.00 0.00 C ATOM 644 CE2 TYR A 52 -2.146 0.677 -7.708 1.00 0.00 C ATOM 645 CZ TYR A 52 -2.830 1.703 -8.401 1.00 0.00 C ATOM 646 OH TYR A 52 -2.213 2.875 -8.715 1.00 0.00 O ATOM 0 H TYR A 52 -2.936 -3.391 -9.239 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.539 -3.921 -8.132 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.944 -1.741 -7.198 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.484 -2.361 -6.454 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -5.874 0.179 -8.745 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.288 -1.314 -6.881 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -4.693 2.281 -9.336 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.116 0.815 -7.415 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.258 2.809 -8.504 1.00 0.00 H new ATOM 655 N ASP A 53 -6.683 -2.597 -9.993 1.00 0.00 N ATOM 656 CA ASP A 53 -7.336 -2.145 -11.224 1.00 0.00 C ATOM 657 C ASP A 53 -7.620 -0.629 -11.136 1.00 0.00 C ATOM 658 O ASP A 53 -8.394 -0.224 -10.257 1.00 0.00 O ATOM 659 CB ASP A 53 -8.628 -2.948 -11.441 1.00 0.00 C ATOM 660 CG ASP A 53 -9.366 -2.508 -12.707 1.00 0.00 C ATOM 661 OD1 ASP A 53 -9.058 -3.026 -13.805 1.00 0.00 O ATOM 662 OD2 ASP A 53 -10.267 -1.648 -12.599 1.00 0.00 O ATOM 0 H ASP A 53 -7.346 -2.886 -9.274 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.681 -2.315 -12.079 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.389 -4.009 -11.510 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.282 -2.824 -10.578 1.00 0.00 H new ATOM 666 N PRO A 54 -7.026 0.199 -12.025 1.00 0.00 N ATOM 667 CA PRO A 54 -7.009 1.663 -11.927 1.00 0.00 C ATOM 668 C PRO A 54 -8.338 2.329 -12.338 1.00 0.00 C ATOM 669 O PRO A 54 -8.362 3.517 -12.673 1.00 0.00 O ATOM 670 CB PRO A 54 -5.825 2.095 -12.805 1.00 0.00 C ATOM 671 CG PRO A 54 -5.831 1.051 -13.916 1.00 0.00 C ATOM 672 CD PRO A 54 -6.203 -0.219 -13.157 1.00 0.00 C ATOM 0 HA PRO A 54 -6.892 1.988 -10.893 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.958 3.103 -13.197 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.887 2.090 -12.250 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -6.556 1.288 -14.695 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.859 0.966 -14.401 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -6.750 -0.909 -13.800 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.310 -0.742 -12.815 1.00 0.00 H new ATOM 677 N LYS A 55 -9.447 1.577 -12.319 1.00 0.00 N ATOM 678 CA LYS A 55 -10.785 2.115 -12.594 1.00 0.00 C ATOM 679 C LYS A 55 -11.907 1.534 -11.711 1.00 0.00 C ATOM 680 O LYS A 55 -12.832 2.271 -11.359 1.00 0.00 O ATOM 681 CB LYS A 55 -11.073 2.046 -14.102 1.00 0.00 C ATOM 682 CG LYS A 55 -11.115 0.639 -14.708 1.00 0.00 C ATOM 683 CD LYS A 55 -11.434 0.731 -16.208 1.00 0.00 C ATOM 684 CE LYS A 55 -11.936 -0.600 -16.769 1.00 0.00 C ATOM 685 NZ LYS A 55 -13.347 -0.852 -16.400 1.00 0.00 N ATOM 0 H LYS A 55 -9.441 0.578 -12.112 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.780 3.164 -12.300 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.030 2.532 -14.293 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.311 2.624 -14.625 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.157 0.140 -14.560 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.870 0.037 -14.202 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.188 1.501 -16.372 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.540 1.039 -16.751 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.839 -0.597 -17.855 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.312 -1.411 -16.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.508 -1.877 -16.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.553 -0.401 -15.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.973 -0.456 -17.130 1.00 0.00 H new ATOM 695 N GLN A 56 -11.776 0.294 -11.227 1.00 0.00 N ATOM 696 CA GLN A 56 -12.487 -0.171 -10.028 1.00 0.00 C ATOM 697 C GLN A 56 -12.093 0.706 -8.829 1.00 0.00 C ATOM 698 O GLN A 56 -12.965 1.278 -8.172 1.00 0.00 O ATOM 699 CB GLN A 56 -12.159 -1.652 -9.750 1.00 0.00 C ATOM 700 CG GLN A 56 -12.856 -2.609 -10.734 1.00 0.00 C ATOM 701 CD GLN A 56 -12.240 -4.013 -10.762 1.00 0.00 C ATOM 702 OE1 GLN A 56 -11.838 -4.588 -9.756 1.00 0.00 O ATOM 703 NE2 GLN A 56 -12.124 -4.623 -11.922 1.00 0.00 N ATOM 0 H GLN A 56 -11.177 -0.414 -11.652 1.00 0.00 H new ATOM 0 HA GLN A 56 -13.562 -0.088 -10.191 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -11.081 -1.798 -9.809 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -12.459 -1.902 -8.732 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -13.910 -2.688 -10.466 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -12.813 -2.182 -11.736 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -12.451 -4.166 -12.773 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -11.707 -5.553 -11.970 1.00 0.00 H new ATOM 710 N VAL A 57 -10.789 0.883 -8.582 1.00 0.00 N ATOM 711 CA VAL A 57 -10.250 1.719 -7.496 1.00 0.00 C ATOM 712 C VAL A 57 -9.073 2.562 -8.001 1.00 0.00 C ATOM 713 O VAL A 57 -8.726 2.533 -9.178 1.00 0.00 O ATOM 714 CB VAL A 57 -9.846 0.882 -6.254 1.00 0.00 C ATOM 715 CG1 VAL A 57 -11.071 0.220 -5.604 1.00 0.00 C ATOM 716 CG2 VAL A 57 -8.774 -0.179 -6.567 1.00 0.00 C ATOM 0 H VAL A 57 -10.061 0.440 -9.143 1.00 0.00 H new ATOM 0 HA VAL A 57 -11.047 2.390 -7.176 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.406 1.587 -5.548 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.754 -0.359 -4.737 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -11.776 0.989 -5.289 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.553 -0.440 -6.325 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.533 -0.732 -5.659 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.153 -0.868 -7.321 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.876 0.311 -6.942 1.00 0.00 H new ATOM 726 N SER A 58 -8.442 3.309 -7.102 1.00 0.00 N ATOM 727 CA SER A 58 -7.205 4.043 -7.357 1.00 0.00 C ATOM 728 C SER A 58 -6.371 4.107 -6.068 1.00 0.00 C ATOM 729 O SER A 58 -6.743 3.513 -5.051 1.00 0.00 O ATOM 730 CB SER A 58 -7.545 5.444 -7.905 1.00 0.00 C ATOM 731 OG SER A 58 -8.245 6.233 -6.956 1.00 0.00 O ATOM 0 H SER A 58 -8.785 3.425 -6.149 1.00 0.00 H new ATOM 0 HA SER A 58 -6.605 3.531 -8.110 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.625 5.954 -8.192 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.148 5.343 -8.807 1.00 0.00 H new ATOM 0 HG SER A 58 -8.440 7.113 -7.342 1.00 0.00 H new ATOM 736 N GLU A 59 -5.276 4.869 -6.095 1.00 0.00 N ATOM 737 CA GLU A 59 -4.404 5.201 -4.958 1.00 0.00 C ATOM 738 C GLU A 59 -5.165 5.502 -3.649 1.00 0.00 C ATOM 739 O GLU A 59 -4.728 5.116 -2.565 1.00 0.00 O ATOM 740 CB GLU A 59 -3.581 6.418 -5.405 1.00 0.00 C ATOM 741 CG GLU A 59 -2.312 6.665 -4.586 1.00 0.00 C ATOM 742 CD GLU A 59 -1.439 7.740 -5.238 1.00 0.00 C ATOM 743 OE1 GLU A 59 -1.276 7.719 -6.483 1.00 0.00 O ATOM 744 OE2 GLU A 59 -0.903 8.624 -4.527 1.00 0.00 O ATOM 0 H GLU A 59 -4.952 5.298 -6.961 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.782 4.340 -4.714 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.303 6.288 -6.451 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.211 7.306 -5.351 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.581 6.973 -3.576 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.747 5.737 -4.496 1.00 0.00 H new ATOM 749 N ILE A 60 -6.348 6.116 -3.761 1.00 0.00 N ATOM 750 CA ILE A 60 -7.294 6.392 -2.669 1.00 0.00 C ATOM 751 C ILE A 60 -7.536 5.158 -1.786 1.00 0.00 C ATOM 752 O ILE A 60 -7.417 5.276 -0.569 1.00 0.00 O ATOM 753 CB ILE A 60 -8.605 6.964 -3.276 1.00 0.00 C ATOM 754 CG1 ILE A 60 -8.522 8.484 -3.549 1.00 0.00 C ATOM 755 CG2 ILE A 60 -9.835 6.717 -2.384 1.00 0.00 C ATOM 756 CD1 ILE A 60 -7.387 8.938 -4.477 1.00 0.00 C ATOM 0 H ILE A 60 -6.691 6.452 -4.661 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.865 7.138 -2.000 1.00 0.00 H new ATOM 0 HB ILE A 60 -8.722 6.426 -4.217 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -9.469 8.808 -3.980 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -8.413 8.999 -2.595 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -10.720 7.139 -2.860 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.974 5.645 -2.245 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -9.683 7.192 -1.415 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -7.426 10.021 -4.597 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -6.428 8.655 -4.044 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -7.500 8.461 -5.451 1.00 0.00 H new ATOM 767 N THR A 61 -7.827 3.982 -2.360 1.00 0.00 N ATOM 768 CA THR A 61 -8.205 2.763 -1.611 1.00 0.00 C ATOM 769 C THR A 61 -7.151 2.341 -0.595 1.00 0.00 C ATOM 770 O THR A 61 -7.506 1.870 0.485 1.00 0.00 O ATOM 771 CB THR A 61 -8.532 1.634 -2.599 1.00 0.00 C ATOM 772 OG1 THR A 61 -9.892 1.777 -2.928 1.00 0.00 O ATOM 773 CG2 THR A 61 -8.354 0.209 -2.069 1.00 0.00 C ATOM 0 H THR A 61 -7.808 3.843 -3.370 1.00 0.00 H new ATOM 0 HA THR A 61 -9.096 2.992 -1.026 1.00 0.00 H new ATOM 0 HB THR A 61 -7.832 1.737 -3.428 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.311 0.893 -2.979 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.613 -0.505 -2.851 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.317 0.059 -1.770 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.005 0.057 -1.208 1.00 0.00 H new ATOM 781 N ILE A 62 -5.870 2.513 -0.929 1.00 0.00 N ATOM 782 CA ILE A 62 -4.743 2.169 -0.050 1.00 0.00 C ATOM 783 C ILE A 62 -4.240 3.379 0.757 1.00 0.00 C ATOM 784 O ILE A 62 -3.797 3.198 1.894 1.00 0.00 O ATOM 785 CB ILE A 62 -3.675 1.404 -0.865 1.00 0.00 C ATOM 786 CG1 ILE A 62 -2.749 0.631 0.094 1.00 0.00 C ATOM 787 CG2 ILE A 62 -2.927 2.306 -1.859 1.00 0.00 C ATOM 788 CD1 ILE A 62 -1.628 -0.158 -0.591 1.00 0.00 C ATOM 0 H ILE A 62 -5.580 2.899 -1.827 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.070 1.484 0.733 1.00 0.00 H new ATOM 0 HB ILE A 62 -4.176 0.672 -1.499 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.302 1.338 0.793 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.353 -0.060 0.682 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.190 1.715 -2.403 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.637 2.738 -2.564 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.422 3.105 -1.316 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.029 -0.669 0.163 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.062 -0.893 -1.268 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.994 0.526 -1.156 1.00 0.00 H new ATOM 799 N GLN A 63 -4.418 4.611 0.266 1.00 0.00 N ATOM 800 CA GLN A 63 -4.254 5.818 1.083 1.00 0.00 C ATOM 801 C GLN A 63 -5.220 5.805 2.278 1.00 0.00 C ATOM 802 O GLN A 63 -4.799 6.066 3.399 1.00 0.00 O ATOM 803 CB GLN A 63 -4.478 7.082 0.235 1.00 0.00 C ATOM 804 CG GLN A 63 -3.819 8.309 0.893 1.00 0.00 C ATOM 805 CD GLN A 63 -2.332 8.417 0.554 1.00 0.00 C ATOM 806 OE1 GLN A 63 -1.449 7.975 1.284 1.00 0.00 O ATOM 807 NE2 GLN A 63 -2.024 8.975 -0.593 1.00 0.00 N ATOM 0 H GLN A 63 -4.678 4.798 -0.702 1.00 0.00 H new ATOM 0 HA GLN A 63 -3.233 5.829 1.464 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.065 6.933 -0.763 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.547 7.259 0.114 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.331 9.214 0.566 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.940 8.248 1.975 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.761 9.341 -1.196 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.048 9.043 -0.881 1.00 0.00 H new ATOM 814 N GLU A 64 -6.482 5.410 2.069 1.00 0.00 N ATOM 815 CA GLU A 64 -7.519 5.224 3.095 1.00 0.00 C ATOM 816 C GLU A 64 -7.195 4.120 4.133 1.00 0.00 C ATOM 817 O GLU A 64 -8.021 3.856 5.016 1.00 0.00 O ATOM 818 CB GLU A 64 -8.873 4.952 2.407 1.00 0.00 C ATOM 819 CG GLU A 64 -9.511 6.176 1.717 1.00 0.00 C ATOM 820 CD GLU A 64 -10.011 7.252 2.681 1.00 0.00 C ATOM 821 OE1 GLU A 64 -10.511 6.913 3.779 1.00 0.00 O ATOM 822 OE2 GLU A 64 -9.885 8.459 2.353 1.00 0.00 O ATOM 0 H GLU A 64 -6.826 5.200 1.132 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.564 6.149 3.670 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.735 4.166 1.664 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.571 4.568 3.151 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.779 6.621 1.043 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -10.346 5.838 1.103 1.00 0.00 H new ATOM 827 N ARG A 65 -6.005 3.503 4.071 1.00 0.00 N ATOM 828 CA ARG A 65 -5.376 2.759 5.172 1.00 0.00 C ATOM 829 C ARG A 65 -4.011 3.349 5.560 1.00 0.00 C ATOM 830 O ARG A 65 -3.764 3.552 6.745 1.00 0.00 O ATOM 831 CB ARG A 65 -5.300 1.268 4.804 1.00 0.00 C ATOM 832 CG ARG A 65 -4.505 0.372 5.776 1.00 0.00 C ATOM 833 CD ARG A 65 -4.843 0.465 7.274 1.00 0.00 C ATOM 834 NE ARG A 65 -6.259 0.151 7.539 1.00 0.00 N ATOM 835 CZ ARG A 65 -6.729 -0.749 8.391 1.00 0.00 C ATOM 836 NH1 ARG A 65 -5.976 -1.327 9.298 1.00 0.00 N ATOM 837 NH2 ARG A 65 -7.993 -1.090 8.346 1.00 0.00 N ATOM 0 H ARG A 65 -5.436 3.509 3.225 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.994 2.856 6.064 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.316 0.880 4.731 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.854 1.181 3.813 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.642 -0.664 5.465 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.447 0.604 5.656 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.208 -0.223 7.833 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.620 1.469 7.635 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.950 0.683 7.010 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.987 -1.088 9.367 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.380 -2.015 9.934 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.612 -0.663 7.657 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.358 -1.782 9.000 1.00 0.00 H new ATOM 848 N ILE A 66 -3.120 3.677 4.622 1.00 0.00 N ATOM 849 CA ILE A 66 -1.769 4.197 4.945 1.00 0.00 C ATOM 850 C ILE A 66 -1.830 5.553 5.671 1.00 0.00 C ATOM 851 O ILE A 66 -1.131 5.746 6.668 1.00 0.00 O ATOM 852 CB ILE A 66 -0.890 4.213 3.669 1.00 0.00 C ATOM 853 CG1 ILE A 66 -0.633 2.760 3.191 1.00 0.00 C ATOM 854 CG2 ILE A 66 0.456 4.922 3.926 1.00 0.00 C ATOM 855 CD1 ILE A 66 -0.179 2.667 1.733 1.00 0.00 C ATOM 0 H ILE A 66 -3.302 3.594 3.622 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.291 3.523 5.656 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.424 4.766 2.896 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.125 2.305 3.829 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.546 2.178 3.316 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.050 4.917 3.012 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.272 5.951 4.234 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.998 4.399 4.714 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.018 1.622 1.468 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.946 3.092 1.085 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.751 3.221 1.606 1.00 0.00 H new ATOM 866 N ALA A 67 -2.717 6.460 5.253 1.00 0.00 N ATOM 867 CA ALA A 67 -2.965 7.728 5.939 1.00 0.00 C ATOM 868 C ALA A 67 -3.821 7.576 7.216 1.00 0.00 C ATOM 869 O ALA A 67 -3.847 8.490 8.041 1.00 0.00 O ATOM 870 CB ALA A 67 -3.595 8.712 4.946 1.00 0.00 C ATOM 0 H ALA A 67 -3.289 6.332 4.418 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.008 8.117 6.288 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.785 9.662 5.446 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.914 8.872 4.110 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.535 8.303 4.575 1.00 0.00 H new ATOM 876 N ALA A 68 -4.494 6.433 7.409 1.00 0.00 N ATOM 877 CA ALA A 68 -5.289 6.128 8.604 1.00 0.00 C ATOM 878 C ALA A 68 -4.436 5.492 9.716 1.00 0.00 C ATOM 879 O ALA A 68 -4.673 5.753 10.894 1.00 0.00 O ATOM 880 CB ALA A 68 -6.455 5.220 8.198 1.00 0.00 C ATOM 0 H ALA A 68 -4.500 5.679 6.722 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.679 7.057 9.019 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.056 4.984 9.077 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.075 5.731 7.461 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.065 4.298 7.767 1.00 0.00 H new ATOM 886 N LEU A 69 -3.399 4.720 9.358 1.00 0.00 N ATOM 887 CA LEU A 69 -2.346 4.292 10.286 1.00 0.00 C ATOM 888 C LEU A 69 -1.541 5.499 10.809 1.00 0.00 C ATOM 889 O LEU A 69 -1.049 5.467 11.940 1.00 0.00 O ATOM 890 CB LEU A 69 -1.450 3.251 9.577 1.00 0.00 C ATOM 891 CG LEU A 69 -0.374 2.625 10.495 1.00 0.00 C ATOM 892 CD1 LEU A 69 -1.000 1.867 11.674 1.00 0.00 C ATOM 893 CD2 LEU A 69 0.539 1.667 9.720 1.00 0.00 C ATOM 0 H LEU A 69 -3.268 4.373 8.408 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.794 3.825 11.163 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.079 2.456 9.176 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.958 3.727 8.728 1.00 0.00 H new ATOM 0 HG LEU A 69 0.217 3.456 10.880 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.210 1.443 12.294 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.600 2.554 12.271 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.634 1.065 11.296 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.283 1.246 10.397 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.058 0.862 9.291 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.042 2.211 8.921 1.00 0.00 H new ATOM 904 N GLY A 70 -1.443 6.569 10.007 1.00 0.00 N ATOM 905 CA GLY A 70 -0.802 7.844 10.354 1.00 0.00 C ATOM 906 C GLY A 70 0.442 8.172 9.524 1.00 0.00 C ATOM 907 O GLY A 70 1.311 8.902 9.995 1.00 0.00 O ATOM 0 H GLY A 70 -1.824 6.569 9.061 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.528 8.647 10.231 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.526 7.823 11.408 1.00 0.00 H new ATOM 911 N TYR A 71 0.560 7.625 8.313 1.00 0.00 N ATOM 912 CA TYR A 71 1.636 7.920 7.355 1.00 0.00 C ATOM 913 C TYR A 71 1.065 8.598 6.087 1.00 0.00 C ATOM 914 O TYR A 71 0.040 9.277 6.158 1.00 0.00 O ATOM 915 CB TYR A 71 2.390 6.603 7.087 1.00 0.00 C ATOM 916 CG TYR A 71 3.129 6.074 8.304 1.00 0.00 C ATOM 917 CD1 TYR A 71 4.388 6.609 8.632 1.00 0.00 C ATOM 918 CD2 TYR A 71 2.568 5.061 9.107 1.00 0.00 C ATOM 919 CE1 TYR A 71 5.105 6.119 9.737 1.00 0.00 C ATOM 920 CE2 TYR A 71 3.282 4.563 10.217 1.00 0.00 C ATOM 921 CZ TYR A 71 4.561 5.081 10.526 1.00 0.00 C ATOM 922 OH TYR A 71 5.276 4.568 11.563 1.00 0.00 O ATOM 0 H TYR A 71 -0.110 6.943 7.957 1.00 0.00 H new ATOM 0 HA TYR A 71 2.350 8.640 7.754 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.680 5.849 6.746 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.103 6.759 6.277 1.00 0.00 H new ATOM 0 HD1 TYR A 71 4.807 7.402 8.030 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.591 4.666 8.872 1.00 0.00 H new ATOM 0 HE1 TYR A 71 6.071 6.535 9.983 1.00 0.00 H new ATOM 0 HE2 TYR A 71 2.852 3.786 10.831 1.00 0.00 H new ATOM 0 HH TYR A 71 4.991 3.646 11.732 1.00 0.00 H new ATOM 931 N THR A 72 1.705 8.424 4.925 1.00 0.00 N ATOM 932 CA THR A 72 1.233 8.760 3.564 1.00 0.00 C ATOM 933 C THR A 72 2.175 8.062 2.578 1.00 0.00 C ATOM 934 O THR A 72 3.350 7.863 2.897 1.00 0.00 O ATOM 935 CB THR A 72 1.178 10.283 3.341 1.00 0.00 C ATOM 936 OG1 THR A 72 0.012 10.774 3.956 1.00 0.00 O ATOM 937 CG2 THR A 72 1.081 10.717 1.878 1.00 0.00 C ATOM 0 H THR A 72 2.639 8.014 4.903 1.00 0.00 H new ATOM 0 HA THR A 72 0.211 8.412 3.414 1.00 0.00 H new ATOM 0 HB THR A 72 2.111 10.671 3.749 1.00 0.00 H new ATOM 0 HG1 THR A 72 -0.061 10.405 4.861 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.048 11.805 1.823 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.951 10.352 1.332 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.175 10.303 1.435 1.00 0.00 H new ATOM 945 N LEU A 73 1.675 7.661 1.406 1.00 0.00 N ATOM 946 CA LEU A 73 2.455 6.940 0.386 1.00 0.00 C ATOM 947 C LEU A 73 3.002 7.845 -0.730 1.00 0.00 C ATOM 948 O LEU A 73 2.460 8.923 -1.000 1.00 0.00 O ATOM 949 CB LEU A 73 1.587 5.795 -0.169 1.00 0.00 C ATOM 950 CG LEU A 73 0.449 6.233 -1.118 1.00 0.00 C ATOM 951 CD1 LEU A 73 0.881 6.139 -2.586 1.00 0.00 C ATOM 952 CD2 LEU A 73 -0.779 5.341 -0.912 1.00 0.00 C ATOM 0 H LEU A 73 0.707 7.828 1.132 1.00 0.00 H new ATOM 0 HA LEU A 73 3.348 6.535 0.862 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.233 5.096 -0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.151 5.252 0.669 1.00 0.00 H new ATOM 0 HG LEU A 73 0.207 7.270 -0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.058 6.454 -3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.741 6.787 -2.754 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.151 5.109 -2.821 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.576 5.658 -1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.516 4.305 -1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.121 5.425 0.120 1.00 0.00 H new ATOM 963 N ALA A 74 4.016 7.354 -1.450 1.00 0.00 N ATOM 964 CA ALA A 74 4.465 7.919 -2.725 1.00 0.00 C ATOM 965 C ALA A 74 4.419 6.862 -3.846 1.00 0.00 C ATOM 966 O ALA A 74 5.129 5.857 -3.778 1.00 0.00 O ATOM 967 CB ALA A 74 5.883 8.471 -2.532 1.00 0.00 C ATOM 0 H ALA A 74 4.556 6.540 -1.158 1.00 0.00 H new ATOM 0 HA ALA A 74 3.798 8.726 -3.030 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.238 8.897 -3.470 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.871 9.244 -1.764 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.549 7.664 -2.225 1.00 0.00 H new ATOM 973 N GLU A 75 3.610 7.095 -4.884 1.00 0.00 N ATOM 974 CA GLU A 75 3.494 6.250 -6.080 1.00 0.00 C ATOM 975 C GLU A 75 3.878 7.127 -7.299 1.00 0.00 C ATOM 976 O GLU A 75 3.156 8.085 -7.600 1.00 0.00 O ATOM 977 CB GLU A 75 2.061 5.661 -6.134 1.00 0.00 C ATOM 978 CG GLU A 75 1.917 4.341 -6.907 1.00 0.00 C ATOM 979 CD GLU A 75 1.454 4.509 -8.354 1.00 0.00 C ATOM 980 OE1 GLU A 75 2.274 4.947 -9.188 1.00 0.00 O ATOM 981 OE2 GLU A 75 0.293 4.152 -8.668 1.00 0.00 O ATOM 0 H GLU A 75 2.994 7.907 -4.917 1.00 0.00 H new ATOM 0 HA GLU A 75 4.167 5.393 -6.072 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.713 5.504 -5.113 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.400 6.400 -6.586 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.876 3.824 -6.902 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.207 3.701 -6.382 1.00 0.00 H new ATOM 986 N PRO A 76 5.037 6.904 -7.953 1.00 0.00 N ATOM 987 CA PRO A 76 5.675 7.889 -8.842 1.00 0.00 C ATOM 988 C PRO A 76 5.024 8.026 -10.226 1.00 0.00 C ATOM 989 O PRO A 76 5.096 7.085 -11.048 1.00 0.00 O ATOM 990 CB PRO A 76 7.152 7.481 -8.918 1.00 0.00 C ATOM 991 CG PRO A 76 7.132 5.980 -8.637 1.00 0.00 C ATOM 992 CD PRO A 76 5.980 5.836 -7.649 1.00 0.00 C ATOM 0 HA PRO A 76 5.550 8.891 -8.431 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.577 7.699 -9.898 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.753 8.017 -8.184 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.961 5.401 -9.545 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.075 5.636 -8.212 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.505 4.860 -7.747 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.338 5.915 -6.622 1.00 0.00 H new